The structure of potassium tetrahydrogen pentafluoride

Bernard A. Coyle*, Leroy W. Schroeder, James A. Ibers

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

31 Scopus citations


The compound KF·4HF, prepared by the addition of anhydrous hydrofluoric acid to potassium fluoride, is shown, on the basis of an X-ray structure determination, to be potassium tetrahydrogen pentafluoride, K[H4F5]. The material crystallizes with four formula units in the tetragonal space group C4h6-I41 a in a cell of dimensions a = 6.384(3), c = 13.227(7) Å. The conventional R factor for the 221 intensities observed above background is 6.2%. The structure is of the scheelite type, with the potassium and the central fluorine atoms residing at special positions of symmetry 4, and the other fluorine atoms hydrogen bonded to the central fluorine atom at an FH···F distance of 2.453(2) Å. The resultant H4F5- ion, which is crystallographically required to possess 4 symmetry, exhibits a slight but significant distortion from tetrahedral geometry. The FH···F bond is approximately linear and is unsymmetric with the hydrogen closer to the peripheral fluorine. The fluorine atoms in the immediate environment of the potassium atom form a dodecahedron with triangular faces.

Original languageEnglish (US)
Pages (from-to)386-393
Number of pages8
JournalJournal of Solid State Chemistry
Issue number3-4
StatePublished - Apr 1970

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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